[gmx-users] exclusions
Gavin Melaugh
gmelaugh01 at qub.ac.uk
Wed May 11 17:31:12 CEST 2011
Hi all
I am cheking the non binary version topol.tpr form grompp and I was
wondering what the following format for the exclusion section signifies?
excls:
nr=228
nra=1920
excls[0][0..12]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 15, 16}
excls[1][13..25]={0, 1, 2, 3, 4, 5, 6, 7, 9, 10, 11, 12, 15}
Also I take it, that this is a result of nrexcl =3
Cheers
Gavin
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